4.5 Article

Genomic materials design: CALculation of PHAse Dynamics

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PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.calphad.2023.102590

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Materials design; CALPHAD; Materials genome; First-principles; ESPEI

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The CALPHAD system, also known as the Materials Genome, has advanced into a mature technology for computational materials design and qualification. Recent projects have demonstrated its successful application in designing novel alloys for additive manufacturing. Current research focuses on developing new methodologies to expand and improve the CALPHAD databases more rapidly and affordably.
The CALPHAD system of fundamental phase-level databases, now known as the Materials Genome, has enabled a mature technology of computational materials design and qualification that has already met the acceleration goals of the national Materials Genome Initiative. As first commercialized by QuesTek Innovations, the methodology combines efficient genomic-level parametric design of new material composition and process specifications with multidisciplinary simulation-based forecasting of manufacturing variation, integrating efficient uncertainty management. Recent projects demonstrated under the multi-institutional CHiMaD Design Center notably include novel alloys designed specifically for additive manufacturing. With the proven success of the CALPHAD-based Materials Genome technology, current university research emphasizes new methodologies for affordable accelerated expansion of more accurate CALPHAD databases. Rapid adoption of these new capabilities by US apex corporations has compressed the materials design and development cycle to under 2 years, enabling a new materials concurrency integrated into a new level of concurrent engineering supporting an unprecedented level of manufacturing innovation.

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